Table 2 Binding affinity energies and the interacting catalytic sites of the commercially available PCa drugs.
Commercially available drugs for PCa | Structure | Binding affinity (kcal/mol) | Interacting residues |
|---|---|---|---|
Dihydrotestosterone |
| −13.92 kcal/mol | First pocket |
Bicalutamide |
| −11.83 kcal/mol | First pocket |
Abiraterone |
| −10.32 kcal/mol | Second pocket |
Flutamide |
| −8.69 kcal/mol | First pocket |
Enzalutamide |
| −8.10 kcal/mol | Second pocket |
